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Lithium Hydroxide → beta-[[2(R)-[[[[4(aminoiminomethyl)phenyl]amino]carbonyl]amino]methyl-propanoyl]-amino]1,3-benzodioxole-5-propanoic acid

HRID 55382
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HRID 55382 반응식
[NH2:1][N:2]=[CH:3][C:4]1[CH:9]=[CH:8][C:7]([NH:10][C:11]([NH:13][CH2:14][C@@H:15]([CH3:35])[C:16]([NH:18][CH:19]([C:26]2[CH:34]=[CH:33][C:29]3[O:30][CH2:31][O:32][C:28]=3[CH:27]=2)[CH2:20][C:21]([O:23]CC)=[O:22])=[O:17])=[O:12])=[CH:6][CH:5]=1.[OH-].[Li+]>CO.O>[NH2:1][N:2]=[CH:3][C:4]1[CH:9]=[CH:8][C:7]([NH:10][C:11]([NH:13][CH2:14][C@@H:15]([CH3:35])[C:16]([NH:18][CH:19]([C:26]2[CH:34]=[CH:33][C:29]3[O:30][CH2:31][O:32][C:28]=3[CH:27]=2)[CH2:20][C:21]([OH:23])=[O:22])=[O:17])=[O:12])=[CH:6][CH:5]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

4

반응물 2

HCID 3939Lithium HydroxideHCID 86747887ethyl beta-[[2(R)-[[[[4-(aminoiminomethyl)phenyl]amino]carbonyl]-amino]methylpropanoyl]amino]-1,3-benzodioxole-5-propanoate

생성물 1

HCID 86747886beta-[[2(R)-[[[[4(aminoiminomethyl)phenyl]amino]carbonyl]amino]methyl-propanoyl]-amino]1,3-benzodioxole-5-propanoic acid수율 71.8%

시약·촉매·용매 1

HCID 22242641Methanol--water (1/1)용매

실험 절차

A portion of ethyl β-[[2(R)-[[[[4-(aminoiminomethyl)phenyl]amino]carbonyl]-amino]methylpropanoyl]amino]-1,3-benzodioxole-5-propanoate (0.18 g; 0.37 mmoles)) was then treated with 1N lithium hydroxide in methanol/water (1:1; 10 ml) for 15 min. The solvents were evaporated under reduced pressure and the residue was dissolved in water/acetonitrile. The crude product was purified by HPLC (C-18 DeltaPak column) using a gradient of acetonitrile/water/trifluoroacetic acid. Both diastereomers were separated and the desired fractions were lyophilized to give 121 mg of white solid (71% combined yield). FAB-MS: MH+ =456.3 (isomer 1) and 456.2 (isomer 2).

후처리

  1. customThe solvents were evaporated under reduced pressure
  2. dissolutionthe residue was dissolved in water/acetonitrile
  3. customThe crude product was purified by HPLC (C-18 DeltaPak column)
  4. customBoth diastereomers were separated

출처 및 근거

ORD 기록
ord-ec1f91f9d22b4f8780dfa3a44b4287d7
출처 데이터셋
uspto-grants-1997_04
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US05624956

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